UCSF

ZINC37298640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 2.7 -50.2 3 5 1 53 294.419 8
Mid Mid (pH 6-8) 1.05 4.97 -104.42 4 5 2 54 295.427 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )